5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one

C13H16N2O2 — CID 43197953

IUPAC5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1ccc2c(c1)CC(=O)N2)C1CCCO1
InChIInChI=1S/C13H16N2O2/c14-13(11-2-1-5-17-11)8-3-4-10-9(6-8)7-12(16)15-10/h3-4,6,11,13H,1-2,5,7,14H2,(H,15,16)
InChIKeyZSJUOENVDFYVHP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.36
Rot. Bonds2

About 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one

5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43197953) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID43197953
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESNC(c1ccc2c(c1)CC(=O)N2)C1CCCO1
InChIInChI=1S/C13H16N2O2/c14-13(11-2-1-5-17-11)8-3-4-10-9(6-8)7-12(16)15-10/h3-4,6,11,13H,1-2,5,7,14H2,(H,15,16)
InChIKeyZSJUOENVDFYVHP-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(2-oxoindolin-5-yl)butyrate
CID 22931351
1-Ethyl-2-oxo-N-[(oxolan-2-YL)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 71840739
5-[4-(2-Ethoxy-6-azaspiro[3.4]octan-6-yl)-4-oxobutyl]-1,3-dihydroindol-2-one
CID 132357588
ethyl (2S)-2-amino-2-(1-methyl-2,3-dihydroindol-5-yl)acetate
CID 96119696
ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate
CID 134873001
6-[amino(oxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457656
6-[amino-(5-methyloxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 81331165
6-[amino-(3-methyloxolan-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 81576125
7-(1-Amino-2-methoxyethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82173185
7-[Amino(oxolan-2-yl)methyl]-5-fluoro-1,3-dihydroindol-2-one
CID 82173188
7-(1-Amino-2-methoxyethyl)-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173231
7-[Amino(oxolan-2-yl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173234

Frequently Asked Questions

What is the IUPAC name of 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one (CID 43197953) is 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one is NC(c1ccc2c(c1)CC(=O)N2)C1CCCO1.
What is the InChIKey of 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is ZSJUOENVDFYVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-13(11-2-1-5-17-11)8-3-4-10-9(6-8)7-12(16)15-10/h3-4,6,11,13H,1-2,5,7,14H2,(H,15,16).
What are the key properties of 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43197953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).